N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C22H27N3O2 — CID 24793023

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCC(=O)N(Cc3ccccn3)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-3-17-7-9-18(10-8-17)14-24(2)22(27)19-11-12-21(26)25(15-19)16-20-6-4-5-13-23-20/h4-10,13,19H,3,11-12,14-16H2,1-2H3
InChIKeyMXDGQIPQMNJQNH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 24793023) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID24793023
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCC(=O)N(Cc3ccccn3)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-3-17-7-9-18(10-8-17)14-24(2)22(27)19-11-12-21(26)25(15-19)16-20-6-4-5-13-23-20/h4-10,13,19H,3,11-12,14-16H2,1-2H3
InChIKeyMXDGQIPQMNJQNH-UHFFFAOYSA-N
XLogP3.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

C3A receptor agonist
CID 44430519
(2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
CID 464036
Ro 23-7637
CID 129491
Piberaline
CID 65975
1-(3-(N-(Methoxycarbonyl)amino)-3-phenylpropanoyl)-4-((2-methyl-3-pyridyl)cyanomethyl)piperazine
CID 3025824
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
(1R,2R)-2-Pcca
CID 58466521
1-[4-(5,6-Dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone
CID 524022
Piperazine, 1-(4-acetylphenyl)-4-(3-pyridinylcarbonyl)-
CID 667603
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyridin-2-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895813
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-2-ylmethyl]benzamide
CID 57394195
1-Benzoyl-4-(3-pyridinylcarbonyl)piperazine
CID 760104

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 24793023) is N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CCc1ccc(CN(C)C(=O)C2CCC(=O)N(Cc3ccccn3)C2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MXDGQIPQMNJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-17-7-9-18(10-8-17)14-24(2)22(27)19-11-12-21(26)25(15-19)16-20-6-4-5-13-23-20/h4-10,13,19H,3,11-12,14-16H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24793023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).